General Information of the Compound
| Compound ID |
CP0177586
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| Compound Name |
(3R,4S)-1-(1,3-benzoxazol-2-yl)-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid
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| Structure |
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| Formula |
C31H29N3O5
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| Molecular Weight |
523.589
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| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nc3ccccc3o2)cc1)-c1ccccc1
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| InChI |
InChI=1S/C31H29N3O5/c1-20-26(32-29(38-20)22-7-3-2-4-8-22)15-16-37-24-13-11-21(12-14-24)17-23-18-34(19-25(23)30(35)36)31-33-27-9-5-6-10-28(27)39-31/h2-14,23,25H,15-19H2,1H3,(H,35,36)/t23-,25+/m1/s1
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| InChIKey |
YUQKIQAUEJSFKI-NOZRDPDXSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound